4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one

C7H11N3O2 — CID 114391952

IUPAC4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one
SMILESCC(CO)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C7H11N3O2/c1-5(4-11)9-6-2-7(12)10-8-3-6/h2-3,5,11H,4H2,1H3,(H2,9,10,12)
InChIKeyKQIHRKXOERPDOI-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.44
Rot. Bonds3

About 4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one

4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one (PubChem CID 114391952) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one
PubChem CID114391952
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one
SMILESCC(CO)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C7H11N3O2/c1-5(4-11)9-6-2-7(12)10-8-3-6/h2-3,5,11H,4H2,1H3,(H2,9,10,12)
InChIKeyKQIHRKXOERPDOI-UHFFFAOYSA-N
XLogP-0.44
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392355
4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392438
4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 114392475
4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one
CID 114392237
4-(pentan-3-ylamino)-1H-pyridazin-6-one
CID 114391867
4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114392507
4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one
CID 114392071
4-(3-methylbutylamino)-1H-pyridazin-6-one
CID 114391891
methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate
CID 114392106
4-(2-methylhydrazinyl)-1H-pyridazin-6-one
CID 142128565
4-(3-hydroxypropylamino)-1H-pyridazin-6-one
CID 114391926
4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 167173452

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one (CID 114391952) is 4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one is CC(CO)Nc1cn[nH]c(=O)c1.
What is the InChIKey of 4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one?
The InChIKey is KQIHRKXOERPDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(4-11)9-6-2-7(12)10-8-3-6/h2-3,5,11H,4H2,1H3,(H2,9,10,12).
What are the key properties of 4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one?
4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114391952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).